SCHEMBL382446

SCHEMBL382446

Cc1ccccc1S(=O)(=O)N[C@@H](CNC(=O)c1ccc(N2CCC(Nc3ncccn3)CC2)cc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ITGAV P06756 17/20 0.60
ITGB3 P05106 13/20 0.59
ITGA2B P08514 13/20 0.59
ITGA2 P17301 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL383160 0.91 ITGAV (0.58) ITGAVITGB3ITGA2BITGA2
SCHEMBL382134 0.89 ITGB3 (0.73) ITGAVITGB3ITGA2B
SCHEMBL381775 0.84 ITGB3 (0.68) ITGAVITGB3ITGA2B
SCHEMBL382123 0.84 ITGB3 (0.68) ITGAVITGB3ITGA2B
SCHEMBL381767 0.83 ITGB3 (0.51) ITGAVITGB3ITGA2B
SCHEMBL6499264 0.82 ITGAV (0.49) ITGAVITGB3ITGA2BITGA2
SCHEMBL6500457 0.81 ITGAV (0.47) ITGAVITGB3ITGA2BITGA2
SCHEMBL6499934 0.80 ITGB3 (0.61) ITGAVITGB3ITGA2B
SCHEMBL6500799 0.80 ITGAV (0.51) ITGAVITGB3ITGA2B
SCHEMBL7464434 0.80 ITGB3 (0.75) ITGAVITGB3ITGA2B

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1074543-B1 AMINOPIPERIDINE DERIVATIVES AS INTEGRIN ALPHA V BETA 3 ANTAGONISTS MEIJI SEIKA PHARMA CO LTD (JP) 2012-01-25 EP disclosed